N-(hydroxymethyl)benzenecarbothioamide
TL;DR: N-(hydroxymethyl)benzenecarbothioamide (CAS 14078-82-1) is a chemical compound with molecular formula C8H9NOS and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(hydroxymethyl)benzenecarbothioamide
Also Known As: N-(hydroxymethyl)benzenecarbothioamide, BENZENECARBOTHIOAMIDE,N-(HYDROXYMETHYL)-
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 0.9015 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.04048 |
| Heavy Atoms | 11 |
| Complexity | 235.1072 |
Chemical Identifiers
| CAS Number | 14078-82-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)NCO |
Product Overview
N-(hydroxymethyl)benzenecarbothioamide (CAS 14078-82-1), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: N-(hydroxymethyl)benzenecarbothioamide.
Chemical Property Profile of N-(hydroxymethyl)benzenecarbothioamide
Property Insights of N-(hydroxymethyl)benzenecarbothioamide
The XLogP value of 0.9015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(hydroxymethyl)benzenecarbothioamide. With a topological polar surface area (TPSA) of 32.26 Ų, N-(hydroxymethyl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(hydroxymethyl)benzenecarbothioamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(hydroxymethyl)benzenecarbothioamide?
The CAS number of N-(hydroxymethyl)benzenecarbothioamide is 14078-82-1.
What is the molecular formula of N-(hydroxymethyl)benzenecarbothioamide?
The molecular formula of N-(hydroxymethyl)benzenecarbothioamide is C8H9NOS.
What is the molecular weight of N-(hydroxymethyl)benzenecarbothioamide?
The molecular weight of N-(hydroxymethyl)benzenecarbothioamide is 167.04 g/mol.
Where can I buy N-(hydroxymethyl)benzenecarbothioamide?
You can request a quote for N-(hydroxymethyl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(hydroxymethyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(hydroxymethyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.